3,4-Dichlorobenzenemethanol

C₇H₆Cl₂OCAS 1805-32-9177.02 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₇H₆Cl₂O
Molar mass: 177.02 g/mol
Exact mass: 175.9796 Da
Melting point: 36 °C
Boiling point: 149.5 °C
logP: 2.49Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed95.7% of notifiers
H311 Toxic in contact with skin14.9% of notifiers
H315 Causes skin irritation93.6% of notifiers
H318 Causes serious eye damage83% of notifiers
H319 Causes serious eye irritation10.6% of notifiers
H335 May cause respiratory irritation93.6% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1805-32-9

SMILES

OCc1ccc(Cl)c(Cl)c1

InChIKey

FVJIUQSKXOYFKG-UHFFFAOYSA-N

InChI

InChI=1S/C7H6Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Benzenemethanol, 3,4-dichloro-
Benzyl alcohol, 3,4-dichloro-
3,4-Dichlorobenzyl alcohol
(3,4-Dichlorophenyl)methanol
NSC 26136
NSC 407829

Work with 3,4-Dichlorobenzenemethanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Chloro-4-fluorobenzyl alcohol161446-90-864 % similar 2-(3,4-Dichlorophenyl)ethanol35364-79-563 % similar 4-Chloro-3-(trifluoromethyl)benzyl alcohol65735-71-958 % similar 3,4-Dichlorobenzyl chloride102-47-658 % similar 3,4-Dichlorobenzenemethanamine102-49-856 % similar 3,4-Dichlorobenzyl bromide18880-04-156 % similar 1,3-Benzenedimethanol626-18-654 % similar 4-Chloro-3-nitrobenzenemethanol55912-20-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dichlorobenzyl alcohol15258-73-8 2,4-Dichloro-6-methylphenol1570-65-6 2,4-Dichlorobenzyl alcohol1777-82-8 1,4-Dichloro-2-methoxybenzene1984-58-3 2,3-Dichloroanisole1984-59-4 2,6-Dichloroanisole1984-65-2 Alpha,4-Dichloroanisole21151-56-4 2,6-Dichloro-4-methylphenol2432-12-4

Elsewhere

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